Article ID Journal Published Year Pages File Type
6644697 Fuel 2012 7 Pages PDF
Abstract
► Glycerol was selected as a model compound for carbohydrate. ► Pyrolysis mechanisms were studied via Quantum Chemistry Calculation base on DFT. ► C-2 of glycerol preferred to be aldehyde group carbon atom in produced acetaldehyde. ► Cyclic Grob Fragmentation was the most possible channel for glycerol pyrolysis. ► Rate constant for the most possible channel was 2.29 × 102 s−1 at 1000 K.
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Physical Sciences and Engineering Chemical Engineering Chemical Engineering (General)
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Theoretical investigation on pyrolysis mechanism of glycerol
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